4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol

C23H26N4O — CID 20814062

IUPAC4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol
SMILESC=Cc1nn(Cc2nc3cc(CC)ccc3n2CCCCO)c2ccccc12
InChIInChI=1S/C23H26N4O/c1-3-17-11-12-22-20(15-17)24-23(26(22)13-7-8-14-28)16-27-21-10-6-5-9-18(21)19(4-2)25-27/h4-6,9-12,15,28H,2-3,7-8,13-14,16H2,1H3
InChIKeyJCGHXHRBBPKLSM-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.41
Rot. Bonds8

About 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol

4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol (PubChem CID 20814062) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol
PubChem CID20814062
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol
SMILESC=Cc1nn(Cc2nc3cc(CC)ccc3n2CCCCO)c2ccccc12
InChIInChI=1S/C23H26N4O/c1-3-17-11-12-22-20(15-17)24-23(26(22)13-7-8-14-28)16-27-21-10-6-5-9-18(21)19(4-2)25-27/h4-6,9-12,15,28H,2-3,7-8,13-14,16H2,1H3
InChIKeyJCGHXHRBBPKLSM-UHFFFAOYSA-N
XLogP4.41
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol?
The IUPAC name of 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol (CID 20814062) is 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol.
What is the SMILES notation for 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol?
The canonical SMILES for 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol is C=Cc1nn(Cc2nc3cc(CC)ccc3n2CCCCO)c2ccccc12.
What is the InChIKey of 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol?
The InChIKey is JCGHXHRBBPKLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-17-11-12-22-20(15-17)24-23(26(22)13-7-8-14-28)16-27-21-10-6-5-9-18(21)19(4-2)25-27/h4-6,9-12,15,28H,2-3,7-8,13-14,16H2,1H3.
What are the key properties of 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol?
4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol has a molecular weight of 374.49 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-ethenylindazol-1-yl)methyl]-5-ethylbenzimidazol-1-yl]butan-1-ol is sourced from PubChem (CID 20814062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).